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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CBr2F2 (Methane, dibromodifluoro-)

B3LYP/6-31G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 3570 2480 A1 1090  
2 A 3444 2821 A1 623  
3 A 2846 2706 A1 140  
4 A 1766 1598 A1 168  
5 A 1574 1293 A2 281  
6 A 1380 227 B1 1153  
7 A 1231 862 B1 369  
8 A 1019 188 B2 831  
9 A 1004 769 B2 235  
10 A 626        
11 A 542        
12 A 74        
The calculated vibrational frequencies were scaled by 0.9603

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.